SCHEMBL5673227

SCHEMBL5673227

COCCc1nc(N2CCOCC2)c2nc(Nc3ccc(C)cc3)[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 4/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PDE10A Q9Y233 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL430964 0.89 MAPT (0.46) SMN1; SMN2LMNAALOX15KDM4EALDH1A1
SCHEMBL5673231 0.85 LMNA (0.45) SMN1; SMN2LMNACYP3A4KDM4EALDH1A1
SCHEMBL3326043 0.81 LMNA (0.58) SMN1; SMN2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL3325454 0.78 PIM1 (0.36) LMNAMAPK1KDM4EALDH1A1HPGD
SCHEMBL428798 0.78 MAPT (0.43) SMN1; SMN2LMNAMAPK1ALOX15KDM4E
SCHEMBL427561 0.77 GBA1 (0.49) SMN1; SMN2LMNAKDM4EALDH1A1HTT
SCHEMBL14259010 0.77 LMNA (0.56) SMN1; SMN2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL426052 0.76 PDE10A (0.42) SMN1; SMN2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL431120 0.75 MTOR (0.47) SMN1; SMN2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL3326484 0.75 CSF1R (0.45) ALOX15MAPTMEN1KMT2APDE10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556140-A4 NOVEL COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2006-04-19 EP disclosed
EP-1556140-A2 NOVEL COMPOUNDS Synta Pharmaceuticals Corporation (US) 2005-07-27 EP disclosed
WO-2004035740-A2 AROMATIC BICYCLIC HETEROCYLES TO MODULATE 1L - 12 PRODUCTION SYNTA PHARMACEUTICALS CORP. (US) 2004-04-29 WO disclosed